#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/65/7106571.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7106571
loop_
_publ_author_name
'Jin Jin'
'Weiyin Wang'
'Yanhua Liu'
'Hongwei Hou'
'Yaoting Fan'
_publ_section_title
;
 A precise hexagonal octadecanuclear Ag macrocycle with significant
 luminescent properties
;
_journal_name_full               Chem.Commun.
_journal_page_first              7461
_journal_paper_doi               10.1039/c1cc12142a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C72 H84 Ag6 N42 O28'
_chemical_formula_weight         2633.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           175
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   26.362(4)
_cell_length_b                   26.362(4)
_cell_length_c                   17.809(4)
_cell_measurement_temperature    113(2)
_cell_volume                     10718(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0419
_diffrn_reflns_av_sigmaI/netI    0.0173
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            61090
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    0.873
_exptl_absorpt_correction_T_max  0.8730
_exptl_absorpt_correction_T_min  0.8518
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.224
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3948
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_platon_squeeze_details
;
;
_refine_diff_density_max         2.196
_refine_diff_density_min         -1.346
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6225
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.1077
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.594
_refine_ls_shift/su_mean         0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1965P)²+15.9609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2942
_refine_ls_wR_factor_ref         0.3036
_reflns_number_gt                5298
_reflns_number_total             6225
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12142a.txt
_cod_data_source_block           p3
_cod_original_sg_symbol_H-M      P6/m
_cod_database_code               7106571
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z'
'-y, x-y, z'
'-x, -y, z'
'-x+y, -x, z'
'y, -x+y, z'
'-x, -y, -z'
'-x+y, -x, -z'
'y, -x+y, -z'
'x, y, -z'
'x-y, x, -z'
'-y, x-y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.353094(7) -0.042500(7) 0.0000 0.08026(6) Uani 1 2 d S . .
Ag2 Ag 0.588413(8) 0.215305(8) 0.0000 0.08949(7) Uani 1 2 d S . .
Ag3 Ag 0.336441(11) 0.205075(8) 0.0000 0.11311(8) Uani 1 2 d S . .
N1 N 0.35631(6) -0.04557(5) 0.11895(9) 0.0915(6) Uani 1 1 d . . .
N2 N 0.36665(8) -0.02725(6) 0.23870(9) 0.1114(7) Uani 1 1 d . . .
N3 N 0.35290(8) -0.08482(6) 0.23337(10) 0.1125(7) Uani 1 1 d . . .
N4 N 0.59456(6) 0.21991(6) 0.12131(9) 0.0974(6) Uani 1 1 d . . .
N5 N 0.57859(6) 0.21275(6) 0.23910(9) 0.1028(6) Uani 1 1 d . . .
N6 N 0.63701(8) 0.23733(11) 0.23063(14) 0.1618(10) Uani 1 1 d . . .
N7 N 0.32867(7) 0.20159(6) 0.11978(9) 0.1080(6) Uani 1 1 d . . .
N8 N 0.33522(7) 0.18868(6) 0.23944(10) 0.1095(6) Uani 1 1 d . . .
N9 N 0.29664(8) 0.20817(8) 0.23463(12) 0.1414(7) Uani 1 1 d . . .
N10 N 0.48546(9) 0.27802(10) 0.0000 0.1151(10) Uani 1 2 d S . .
N11 N 0.49517(8) 0.06749(6) 0.03586(9) 0.1062(11) Uani 0.50 1 d PD . .
N12 N 0.15610(4) 0.07091(4) 0.0000 0.0577(5) Uani 1 2 d SD . .
C1 C 0.36910(8) -0.00569(6) 0.17169(10) 0.0977(7) Uani 1 1 d . . .
H1 H 0.3788 0.0336 0.1622 0.117 Uiso 1 1 calc R . .
C2 C 0.34761(8) -0.09425(6) 0.16070(12) 0.0979(7) Uani 1 1 d . . .
H2 H 0.3387 -0.1306 0.1386 0.117 Uiso 1 1 calc R . .
C3 C 0.37802(14) -0.00026(8) 0.31596(14) 0.1645(15) Uani 1 1 d . . .
H3A H 0.4059 -0.0084 0.3432 0.197 Uiso 1 1 calc R . .
H3B H 0.3410 -0.0176 0.3448 0.197 Uiso 1 1 calc R . .
C4 C 0.40335(11) 0.06576(7) 0.30893(9) 0.1237(9) Uani 1 1 d . . .
C5 C 0.36458(11) 0.08832(8) 0.30834(10) 0.1168(10) Uani 1 1 d . . .
C6 C 0.29765(12) 0.04974(11) 0.30583(15) 0.1611(13) Uani 1 1 d . . .
H6A H 0.2870 0.0154 0.2742 0.242 Uiso 1 1 calc R . .
H6B H 0.2806 0.0723 0.2849 0.242 Uiso 1 1 calc R . .
H6C H 0.2827 0.0369 0.3568 0.242 Uiso 1 1 calc R . .
C7 C 0.38796(9) 0.14944(7) 0.31032(10) 0.1001(7) Uani 1 1 d . . .
C8 C 0.44921(8) 0.18709(7) 0.30960(10) 0.0933(7) Uani 1 1 d . . .
C9 C 0.47579(10) 0.25277(7) 0.30741(12) 0.1116(8) Uani 1 1 d . . .
H9A H 0.4923 0.2692 0.3567 0.167 Uiso 1 1 calc R . .
H9B H 0.4455 0.2624 0.2945 0.167 Uiso 1 1 calc R . .
H9C H 0.5069 0.2693 0.2695 0.167 Uiso 1 1 calc R . .
C10 C 0.48518(8) 0.16215(7) 0.31098(10) 0.0974(6) Uani 1 1 d . . .
C11 C 0.46437(9) 0.10356(7) 0.31041(11) 0.1085(8) Uani 1 1 d . . .
C12 C 0.50311(11) 0.07622(9) 0.31113(14) 0.1747(10) Uani 1 1 d . . .
H12A H 0.5356 0.0971 0.2758 0.262 Uiso 1 1 calc R . .
H12B H 0.4801 0.0350 0.2962 0.262 Uiso 1 1 calc R . .
H12C H 0.5187 0.0788 0.3618 0.262 Uiso 1 1 calc R . .
C13 C 0.54907(9) 0.20093(10) 0.31457(11) 0.1264(8) Uani 1 1 d . . .
H13A H 0.5658 0.1829 0.3477 0.152 Uiso 1 1 calc R . .
H13B H 0.5577 0.2387 0.3374 0.152 Uiso 1 1 calc R . .
C14 C 0.64459(10) 0.23917(14) 0.15792(15) 0.1564(14) Uani 1 1 d . . .
H14 H 0.6815 0.2526 0.1343 0.188 Uiso 1 1 calc R . .
C15 C 0.55406(8) 0.20159(8) 0.17282(11) 0.0998(7) Uani 1 1 d . . .
H15 H 0.5131 0.1830 0.1636 0.120 Uiso 1 1 calc R . .
C16 C 0.35057(9) 0.17744(9) 0.31496(12) 0.1196(9) Uani 1 1 d . . .
H16A H 0.3143 0.1514 0.3430 0.144 Uiso 1 1 calc R . .
H16B H 0.3719 0.2149 0.3428 0.144 Uiso 1 1 calc R . .
C17 C 0.35336(8) 0.18451(7) 0.17309(11) 0.0997(7) Uani 1 1 d . . .
H17 H 0.3803 0.1713 0.1635 0.120 Uiso 1 1 calc R . .
C18 C 0.29454(9) 0.21648(9) 0.16348(15) 0.1288(8) Uani 1 1 d . . .
H18 H 0.2715 0.2315 0.1428 0.155 Uiso 1 1 calc R . .
O1 O 0.46320(14) 0.25069(15) 0.05057(17) 0.3164(19) Uani 1 1 d . . .
O2 O 0.49722(8) 0.33077(10) 0.0000 0.1532(10) Uani 1 2 d S . .
O3 O 0.50157(8) 0.03001(6) 0.0000 0.306(3) Uani 1 2 d SDU . .
O4 O 0.50394(10) 0.07057(11) 0.10416(7) 0.1517(18) Uani 0.50 1 d PD . .
H4 H 0.5004 0.0389 0.1196 0.228 Uiso 0.50 1 calc PR . .
O5 O 0.49503(10) 0.10785(6) 0.0000 0.241(3) Uani 1 2 d SD . .
O6 O 0.42188(7) 0.12998(6) 0.09378(14) 0.1375(7) Uani 1 1 d . . .
O7 O 0.5000 0.0000 0.14661(18) 0.1730(15) Uani 1 2 d S . .
O8 O 0.16280(8) 0.02798(6) 0.0000 0.817(12) Uani 1 2 d SD . .
O9 O 0.17537(9) 0.09215(10) 0.07335(10) 0.853(5) Uani 1 1 d D . .
O10 O 0.10976(6) 0.07091(9) 0.0000 0.820(14) Uani 1 2 d SD . .
O11 O 0.5365(3) 0.2883(2) 0.0000 0.325(4) Uani 1 2 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N1 172.25(10) 10 . ?
N4 Ag2 N4 172.27(6) . 10 ?
N7 Ag3 N7 170.48(9) 10 . ?
C1 N1 C2 102.22(15) . . ?
C1 N1 Ag1 132.67(12) . . ?
C2 N1 Ag1 125.01(12) . . ?
C1 N2 N3 110.14(15) . . ?
C1 N2 C3 132.18(16) . . ?
N3 N2 C3 117.63(16) . . ?
C2 N3 N2 102.80(15) . . ?
C14 N4 C15 105.66(18) . . ?
C14 N4 Ag2 123.02(15) . . ?
C15 N4 Ag2 131.07(13) . . ?
C15 N5 N6 108.96(18) . . ?
C15 N5 C13 127.84(16) . . ?
N6 N5 C13 123.20(17) . . ?
C14 N6 N5 104.2(2) . . ?
C17 N7 C18 100.90(18) . . ?
C17 N7 Ag3 131.58(16) . . ?
C18 N7 Ag3 127.52(16) . . ?
C17 N8 N9 110.67(19) . . ?
C17 N8 C16 131.4(2) . . ?
N9 N8 C16 117.87(18) . . ?
C18 N9 N8 103.3(2) . . ?
O1 N10 O1 107.2(3) 10 . ?
O1 N10 O2 118.0(3) 10 . ?
O1 N10 O2 118.0(3) . . ?
O1 N10 O11 107.8(3) 10 . ?
O1 N10 O11 107.8(3) . . ?
O2 N10 O11 96.7(3) . . ?
O4 N11 O5 122.1(2) . . ?
O4 N11 N11 170.52(15) . 10 ?
O5 N11 N11 59.07(9) . 10 ?
O4 N11 O3 117.3(2) . . ?
O5 N11 O3 118.11(15) . . ?
N11 N11 O3 59.46(9) 10 . ?
O10 N12 O8 127.14(14) . . ?
O10 N12 O9 99.29(13) . . ?
O8 N12 O9 100.16(14) . . ?
O10 N12 O9 99.29(13) . 10 ?
O8 N12 O9 100.16(14) . 10 ?
O9 N12 O9 135.40(16) . 10 ?
N2 C1 N1 111.40(16) . . ?
N2 C1 H1 124.3 . . ?
N1 C1 H1 124.3 . . ?
N3 C2 N1 113.40(16) . . ?
N3 C2 H2 123.3 . . ?
N1 C2 H2 123.3 . . ?
N2 C3 C4 109.49(17) . . ?
N2 C3 H3A 109.8 . . ?
C4 C3 H3A 109.8 . . ?
N2 C3 H3B 109.8 . . ?
C4 C3 H3B 109.8 . . ?
H3A C3 H3B 108.2 . . ?
C11 C4 C5 120.83(17) . . ?
C11 C4 C3 120.0(3) . . ?
C5 C4 C3 118.9(2) . . ?
C7 C5 C4 119.0(2) . . ?
C7 C5 C6 117.4(3) . . ?
C4 C5 C6 123.6(2) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 C8 119.8(2) . . ?
C5 C7 C16 123.01(19) . . ?
C8 C7 C16 117.17(16) . . ?
C10 C8 C7 118.39(16) . . ?
C10 C8 C9 120.32(17) . . ?
C7 C8 C9 121.3(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C8 123.52(17) . . ?
C11 C10 C13 117.5(2) . . ?
C8 C10 C13 118.94(17) . . ?
C10 C11 C4 118.4(2) . . ?
C10 C11 C12 123.81(18) . . ?
C4 C11 C12 117.84(17) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 N5 113.51(15) . . ?
C10 C13 H13A 108.9 . . ?
N5 C13 H13A 108.9 . . ?
C10 C13 H13B 108.9 . . ?
N5 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
N4 C14 N6 111.6(2) . . ?
N4 C14 H14 124.2 . . ?
N6 C14 H14 124.2 . . ?
N5 C15 N4 109.32(17) . . ?
N5 C15 H15 125.3 . . ?
N4 C15 H15 125.3 . . ?
N8 C16 C7 111.21(18) . . ?
N8 C16 H16A 109.4 . . ?
C7 C16 H16A 109.4 . . ?
N8 C16 H16B 109.4 . . ?
C7 C16 H16B 109.4 . . ?
H16A C16 H16B 108.0 . . ?
N8 C17 N7 110.6(2) . . ?
N8 C17 H17 124.7 . . ?
N7 C17 H17 124.7 . . ?
N9 C18 N7 114.4(2) . . ?
N9 C18 H18 122.8 . . ?
N7 C18 H18 122.8 . . ?
N11 O3 N11 61.08(19) 10 . ?
N11 O3 O3 147.89(9) 10 7_655 ?
N11 O3 O3 147.89(9) . 7_655 ?
N11 O4 H4 109.5 . . ?
N11 O5 N11 61.85(19) . 10 ?
O10 O9 N12 36.84(9) . . ?
N12 O10 O9 43.87(8) . . ?
N12 O10 O9 43.87(8) . 10 ?
O9 O10 O9 81.04(13) . 10 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.1233(16) 10 ?
Ag1 N1 2.1233(16) . ?
Ag2 N4 2.1654(17) . ?
Ag2 N4 2.1654(17) 10 ?
Ag3 N7 2.1405(17) 10 ?
Ag3 N7 2.1405(17) . ?
N1 C1 1.322(2) . ?
N1 C2 1.399(2) . ?
N2 C1 1.309(2) . ?
N2 N3 1.376(2) . ?
N2 C3 1.508(3) . ?
N3 C2 1.312(3) . ?
N4 C14 1.324(3) . ?
N4 C15 1.303(2) . ?
N5 C15 1.307(3) . ?
N5 N6 1.348(2) . ?
N5 C13 1.505(3) . ?
N6 C14 1.308(4) . ?
N7 C17 1.349(3) . ?
N7 C18 1.387(3) . ?
N8 C17 1.300(3) . ?
N8 N9 1.352(3) . ?
N8 C16 1.476(3) . ?
N9 C18 1.292(3) . ?
N10 O1 1.119(3) 10 ?
N10 O1 1.119(3) . ?
N10 O2 1.264(4) . ?
N10 O11 1.232(7) . ?
N11 O4 1.233(2) . ?
N11 O5 1.243(3) . ?
N11 N11 1.277(3) 10 ?
N11 O3 1.257(3) . ?
N12 O10 1.222(2) . ?
N12 O8 1.229(2) . ?
N12 O9 1.4120(18) . ?
N12 O9 1.4120(18) 10 ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 C4 1.526(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C11 1.407(3) . ?
C4 C5 1.416(4) . ?
C5 C7 1.409(3) . ?
C5 C6 1.535(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.410(3) . ?
C7 C16 1.501(4) . ?
C8 C10 1.398(3) . ?
C8 C9 1.509(2) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.356(2) . ?
C10 C13 1.471(3) . ?
C11 C12 1.516(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
O3 N11 1.257(3) 10 ?
O3 O3 1.543(3) 7_655 ?
O4 H4 0.8400 . ?
O5 N11 1.243(3) 10 ?
O9 O10 2.011(2) . ?
O10 O9 2.011(2) 10 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ag1 N1 C1 133.7(4) 10 . . . ?
N1 Ag1 N1 C2 -42.1(5) 10 . . . ?
C1 N2 N3 C2 -0.3(2) . . . . ?
C3 N2 N3 C2 -178.1(2) . . . . ?
N4 Ag2 N4 C14 -24.7(9) 10 . . . ?
N4 Ag2 N4 C15 161.9(6) 10 . . . ?
C15 N5 N6 C14 -0.6(3) . . . . ?
C13 N5 N6 C14 179.1(3) . . . . ?
N7 Ag3 N7 C17 132.8(5) 10 . . . ?
N7 Ag3 N7 C18 -46.2(6) 10 . . . ?
C17 N8 N9 C18 -1.64(17) . . . . ?
C16 N8 N9 C18 176.94(14) . . . . ?
N3 N2 C1 N1 1.6(3) . . . . ?
C3 N2 C1 N1 179.0(3) . . . . ?
C2 N1 C1 N2 -2.1(2) . . . . ?
Ag1 N1 C1 N2 -178.56(14) . . . . ?
N2 N3 C2 N1 -1.1(2) . . . . ?
C1 N1 C2 N3 2.0(2) . . . . ?
Ag1 N1 C2 N3 178.82(14) . . . . ?
C1 N2 C3 C4 -7.7(4) . . . . ?
N3 N2 C3 C4 169.5(2) . . . . ?
N2 C3 C4 C11 -95.0(3) . . . . ?
N2 C3 C4 C5 91.1(3) . . . . ?
C11 C4 C5 C7 -0.9(3) . . . . ?
C3 C4 C5 C7 172.99(17) . . . . ?
C11 C4 C5 C6 179.27(18) . . . . ?
C3 C4 C5 C6 -6.9(3) . . . . ?
C4 C5 C7 C8 2.7(3) . . . . ?
C6 C5 C7 C8 -177.44(18) . . . . ?
C4 C5 C7 C16 -175.88(17) . . . . ?
C6 C5 C7 C16 4.0(3) . . . . ?
C5 C7 C8 C10 -3.4(3) . . . . ?
C16 C7 C8 C10 175.29(17) . . . . ?
C5 C7 C8 C9 176.63(17) . . . . ?
C16 C7 C8 C9 -4.7(3) . . . . ?
C7 C8 C10 C11 2.3(3) . . . . ?
C9 C8 C10 C11 -177.68(18) . . . . ?
C7 C8 C10 C13 -176.59(17) . . . . ?
C9 C8 C10 C13 3.4(3) . . . . ?
C8 C10 C11 C4 -0.5(3) . . . . ?
C13 C10 C11 C4 178.41(16) . . . . ?
C8 C10 C11 C12 179.38(19) . . . . ?
C13 C10 C11 C12 -1.7(3) . . . . ?
C5 C4 C11 C10 -0.2(3) . . . . ?
C3 C4 C11 C10 -174.03(18) . . . . ?
C5 C4 C11 C12 179.87(18) . . . . ?
C3 C4 C11 C12 6.1(3) . . . . ?
C11 C10 C13 N5 84.2(2) . . . . ?
C8 C10 C13 N5 -96.9(2) . . . . ?
C15 N5 C13 C10 12.9(3) . . . . ?
N6 N5 C13 C10 -166.7(2) . . . . ?
C15 N4 C14 N6 -4.6(4) . . . . ?
Ag2 N4 C14 N6 -179.5(2) . . . . ?
N5 N6 C14 N4 3.2(4) . . . . ?
N6 N5 C15 N4 -2.3(3) . . . . ?
C13 N5 C15 N4 178.1(2) . . . . ?
C14 N4 C15 N5 4.1(3) . . . . ?
Ag2 N4 C15 N5 178.39(14) . . . . ?
C17 N8 C16 C7 -8.5(2) . . . . ?
N9 N8 C16 C7 173.24(13) . . . . ?
C5 C7 C16 N8 -90.2(2) . . . . ?
C8 C7 C16 N8 91.20(19) . . . . ?
N9 N8 C17 N7 0.75(17) . . . . ?
C16 N8 C17 N7 -177.58(14) . . . . ?
C18 N7 C17 N8 0.43(16) . . . . ?
Ag3 N7 C17 N8 -178.79(10) . . . . ?
N8 N9 C18 N7 2.00(19) . . . . ?
C17 N7 C18 N9 -1.57(18) . . . . ?
Ag3 N7 C18 N9 177.69(11) . . . . ?
O4 N11 O3 N11 -169.82(13) . . . 10 ?
O5 N11 O3 N11 -7.4(2) . . . 10 ?
O4 N11 O3 O3 30.1(5) . . . 7_655 ?
O5 N11 O3 O3 -167.5(3) . . . 7_655 ?
N11 N11 O3 O3 -160.1(4) 10 . . 7_655 ?
O4 N11 O5 N11 168.96(18) . . . 10 ?
O3 N11 O5 N11 7.4(2) . . . 10 ?
O8 N12 O9 O10 -130.61(14) . . . . ?
O9 N12 O9 O10 113.5(4) 10 . . . ?
O8 N12 O10 O9 110.37(10) . . . . ?
O9 N12 O10 O9 -139.3(2) 10 . . . ?
O8 N12 O10 O9 -110.37(10) . . . 10 ?
O9 N12 O10 O9 139.3(2) . . . 10 ?
N12 O9 O10 O9 -27.24(14) . . . 10 ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.007 -0.006 -0.139 3755.6 77.3
